2,4-difluoro-1-[2-[4-(2-fluorophenyl)sulfonylphenyl]ethyl]benzene

C20H15F3O2S — CID 21099422

IUPAC2,4-difluoro-1-[2-[4-(2-fluorophenyl)sulfonylphenyl]ethyl]benzene
SMILESO=S(=O)(c1ccc(CCc2ccc(F)cc2F)cc1)c1ccccc1F
InChIInChI=1S/C20H15F3O2S/c21-16-10-9-15(19(23)13-16)8-5-14-6-11-17(12-7-14)26(24,25)20-4-2-1-3-18(20)22/h1-4,6-7,9-13H,5,8H2
InChIKeyVEHUFJFCBRYCCZ-UHFFFAOYSA-N
MW376.40 g/mol
LogP4.72
Rot. Bonds5

About 2,4-difluoro-1-[2-[4-(2-fluorophenyl)sulfonylphenyl]ethyl]benzene

2,4-difluoro-1-[2-[4-(2-fluorophenyl)sulfonylphenyl]ethyl]benzene (PubChem CID 21099422) has the molecular formula C20H15F3O2S and a molecular weight of 376.40 g/mol. Its IUPAC name is 2,4-difluoro-1-[2-[4-(2-fluorophenyl)sulfonylphenyl]ethyl]benzene.

Molecular Properties

Compound Name2,4-difluoro-1-[2-[4-(2-fluorophenyl)sulfonylphenyl]ethyl]benzene
PubChem CID21099422
Molecular FormulaC20H15F3O2S
Molecular Weight376.40 g/mol
Exact Mass376.07
IUPAC Name2,4-difluoro-1-[2-[4-(2-fluorophenyl)sulfonylphenyl]ethyl]benzene
SMILESO=S(=O)(c1ccc(CCc2ccc(F)cc2F)cc1)c1ccccc1F
InChIInChI=1S/C20H15F3O2S/c21-16-10-9-15(19(23)13-16)8-5-14-6-11-17(12-7-14)26(24,25)20-4-2-1-3-18(20)22/h1-4,6-7,9-13H,5,8H2
InChIKeyVEHUFJFCBRYCCZ-UHFFFAOYSA-N
XLogP4.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-1-[2-[4-(2-fluorophenyl)sulfonylphenyl]ethyl]benzene;1-[2-[4-[2-(2,4-difluorophenyl)ethyl]phenyl]sulfonylphenyl]imidazole
CID 69351431
2-[2-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)sulfonylpyridine
CID 21099406
2-[4-[2-(2-fluorophenyl)ethyl]phenyl]sulfonylbenzamide
CID 86225524
2-[4-[2-(2,4-difluorophenyl)-2-oxoethyl]phenyl]sulfonylbenzonitrile
CID 21099418
1-(bromomethyl)-2-(4-fluorophenyl)sulfonylbenzene
CID 68626123
2,4-difluoro-1-[(4-fluorophenyl)sulfonylmethyl]benzene
CID 64717962
4-fluoro-1-[(2-fluorophenyl)sulfonylmethyl]-2-methylbenzene
CID 114349484
4-(benzenesulfonyl)-N-[2-(2,4-difluorophenyl)ethylideneamino]aniline
CID 69390660
2-[2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfonylpyridine
CID 68530611
N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 81241598
potassium 3-(2,4-difluorophenyl)sulfonylbenzenesulfonate
CID 142697327
3-bromo-5-[4-[2-(2,4-difluorophenyl)ethyl]phenyl]-2,6-dimethyl-1H-pyridin-4-one
CID 44528863

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-[2-[4-(2-fluorophenyl)sulfonylphenyl]ethyl]benzene?
The IUPAC name of 2,4-difluoro-1-[2-[4-(2-fluorophenyl)sulfonylphenyl]ethyl]benzene (CID 21099422) is 2,4-difluoro-1-[2-[4-(2-fluorophenyl)sulfonylphenyl]ethyl]benzene.
What is the SMILES notation for 2,4-difluoro-1-[2-[4-(2-fluorophenyl)sulfonylphenyl]ethyl]benzene?
The canonical SMILES for 2,4-difluoro-1-[2-[4-(2-fluorophenyl)sulfonylphenyl]ethyl]benzene is O=S(=O)(c1ccc(CCc2ccc(F)cc2F)cc1)c1ccccc1F.
What is the InChIKey of 2,4-difluoro-1-[2-[4-(2-fluorophenyl)sulfonylphenyl]ethyl]benzene?
The InChIKey is VEHUFJFCBRYCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3O2S/c21-16-10-9-15(19(23)13-16)8-5-14-6-11-17(12-7-14)26(24,25)20-4-2-1-3-18(20)22/h1-4,6-7,9-13H,5,8H2.
What are the key properties of 2,4-difluoro-1-[2-[4-(2-fluorophenyl)sulfonylphenyl]ethyl]benzene?
2,4-difluoro-1-[2-[4-(2-fluorophenyl)sulfonylphenyl]ethyl]benzene has a molecular weight of 376.40 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-[2-[4-(2-fluorophenyl)sulfonylphenyl]ethyl]benzene is sourced from PubChem (CID 21099422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).